The solubilities of 3,4-dinitro-1H-pyrazole (DNP) in different solvents are essential for crystallization and further theoretical studies. In this paper, the solubilities of DNP in six pure solvents were determined in temperatures ranging from 298.15 K to 338.15 K by the dynamic laser monitoring method under atmospheric pressure. The results showed that the solubility of DNP in each tested solvent increases with the increasing temperature. Melting temperature Tm and fusion enthalpy Hfus of DNP were determined using differential scanning calorimetry. Solubility data was correlated by the modified Apelblat equation, h equation, Wilson model and nonrandom two-liquid (NRTL) model, and these results showed that all models can give satisfactory correlation results. Therefore, the experimental data and model parameters would provide essential support for industrial design. Furthermore, on the basis of the NRTL model and solubility data, the dissolution thermodynamic properties, including enthalpy, entropy, and Gibbs energy were determined.
Compounds
#
Formula
Name
1
C3H2N4O4
3,4-dinitro-1H-pyrazole
2
C6H6
benzene
3
C7H8
toluene
4
C6H5Cl
chlorobenzene
5
C7H8O
anisole
6
C4H10O
butan-1-ol
7
C3H8O
propan-2-ol
Datasets
The table above is generated from the ThermoML associated json file (link above).
POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied;
the numbers refer to the table of compounds on the left.
Type
Compound-#
Property
Variable
Constraint
Phase
Method
#Points
POMD
1
Molar enthalpy of transition or fusion, kJ/mol ; Crystal